- InChI
- InChI=1S/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
- InChI Key
- WRHZVMBBRYBTKZ-UHFFFAOYSA-N
- Formula
- C5H5NO2
- SMILES
- O=C(O)c1ccc[nH]1
- Molecular Weight1
- 111.10
- CAS
- 634-97-9
- Other Names
-
- Pyrrole-2-carboxylic acid
- Minalin
- Minaline
- PCA
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6528 | Relay (1.0) Calculated Property | |
| ΔfG° | -174.31 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -282.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | 100.80 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 86.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.231 | Crippen Calculated Property | |
| McVol | 79.270 | ml/mol | McGowan Calculated Property |
| Pc | 5513.29 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 533.20 | K | Relay (1.0) Calculated Property |
| Tc | 801.85 | K | Relay (1.0) Calculated Property |
| Tfus | 457.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [98.60; 126.80] | kJ/mol | [342.00; 352.00] | 
|
| ΔsubH | 98.60 ± 0.90 | kJ/mol | 342.00 | NIST |
| ΔsubH | 126.80 | kJ/mol | 352.00 | NIST |
Similar Compounds
Find more compounds similar to 1H-Pyrrole-2-carboxylic acid.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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